4-(2-cyanoethylsulfamoyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)[NH+]3CCCC3

InChI

InChI=1S/C23H28N4O4S/c1-31-20-9-5-18(6-10-20)22(27-15-2-3-16-27)17-25-23(28)19-7-11-21(12-8-19)32(29,30)26-14-4-13-24/h5-12,22,26H,2-4,14-17H2,1H3,(H,25,28)/p+1/t22-/m0/s1